3-[(5-chloro-2-pyridinyl)oxy]benzoic acid

C12H8ClNO3 — CID 61395583

IUPAC3-[(5-chloro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C12H8ClNO3/c13-9-4-5-11(14-7-9)17-10-3-1-2-8(6-10)12(15)16/h1-7H,(H,15,16)
InChIKeyDRPCBAKPDXAUHG-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid

3-[(5-chloro-2-pyridinyl)oxy]benzoic acid (PubChem CID 61395583) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]benzoic acid
PubChem CID61395583
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C12H8ClNO3/c13-9-4-5-11(14-7-9)17-10-3-1-2-8(6-10)12(15)16/h1-7H,(H,15,16)
InChIKeyDRPCBAKPDXAUHG-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid (CID 61395583) is 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1cccc(Oc2ccc(Cl)cn2)c1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is DRPCBAKPDXAUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-9-4-5-11(14-7-9)17-10-3-1-2-8(6-10)12(15)16/h1-7H,(H,15,16).
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid?
3-[(5-chloro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 249.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 61395583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).